3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide

C27H28F2N2O — CID 23108849

IUPAC3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F2N2O/c1-19-24(7-4-8-26(19)29)27(32)30-17-22-5-2-3-6-25(22)21-13-15-31(16-14-21)18-20-9-11-23(28)12-10-20/h2-12,21H,13-18H2,1H3,(H,30,32)
InChIKeySROHWMOFDBNTQZ-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.58
Rot. Bonds6

About 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide

3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide (PubChem CID 23108849) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
PubChem CID23108849
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC Name3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F2N2O/c1-19-24(7-4-8-26(19)29)27(32)30-17-22-5-2-3-6-25(22)21-13-15-31(16-14-21)18-20-9-11-23(28)12-10-20/h2-12,21H,13-18H2,1H3,(H,30,32)
InChIKeySROHWMOFDBNTQZ-UHFFFAOYSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108491
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
CID 57430058
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499793
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
CID 57499786
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108836
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
3-ethyl-1-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-1-(3-methoxyphenyl)urea
CID 23108642

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide (CID 23108849) is 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide is Cc1c(F)cccc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is SROHWMOFDBNTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O/c1-19-24(7-4-8-26(19)29)27(32)30-17-22-5-2-3-6-25(22)21-13-15-31(16-14-21)18-20-9-11-23(28)12-10-20/h2-12,21H,13-18H2,1H3,(H,30,32).
What are the key properties of 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 434.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 23108849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).